%chk=000189824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189824

0 1
O -0.825900 -0.847855 -0.490352
O -1.259472 0.564446 1.288197
O 0.803954 1.791010 -0.932635
O 1.411324 4.007280 1.552525
O -2.509526 3.014334 -0.147183
O -4.169462 1.860627 0.644742
O -1.146967 -1.869086 2.399372
O -3.188841 -2.506605 2.734475
O -5.959067 -2.625231 -1.252891
O -5.744428 -1.137822 -2.817765
N 2.563947 0.236321 -1.262925
N -3.153425 2.001934 0.008789
N -2.321686 -1.931111 2.104474
N 4.677127 0.242535 -2.186496
N 3.219808 -0.136605 1.135090
N -5.441469 -1.650781 -1.757425
N 5.638537 -0.379587 1.423142
N 7.174787 -0.226738 -0.367764
C 0.470225 -0.395002 -0.029488
C 0.177510 0.641460 1.080603
C 1.105285 0.414352 -1.191712
C -1.872104 -0.201444 0.258762
C 0.533905 2.019114 0.487151
C -2.609493 0.759775 -0.733657
C -2.762147 -1.269758 0.845919
C 1.758921 2.693225 1.119501
C -3.732960 0.106210 -1.475475
C -3.898034 -1.662612 0.236863
C 3.465080 0.039608 -0.203116
C -4.314013 -1.017130 -1.007911
C 3.379344 0.377553 -2.448723
C 4.773059 0.028473 -0.798826
C 5.882938 -0.192223 0.071864
C 4.351181 -0.344374 1.873024
H 1.017072 -1.307958 0.286465
H 0.610159 0.417103 2.079430
H 0.648213 0.207245 -2.190604
H -0.346735 2.711981 0.475397
H -1.820952 1.124822 -1.463295
H 2.603114 2.730857 0.405202
H 2.090884 2.201147 2.056531
H -4.067328 0.596759 -2.402034
H -4.545099 -2.462444 0.644013
H 2.931425 0.563509 -3.415893
H 1.279038 4.602905 0.783335
H 4.212009 -0.499778 2.958682
H 7.936286 -0.387404 0.275253
H 7.385973 -0.093938 -1.346130


%chk=000189824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189824

0 1
O -0.841982 -0.508484 -0.771697
O -1.312109 0.678315 1.218868
O 0.891604 2.031448 -1.003153
O 1.973958 4.199779 0.523402
O -2.959571 3.069732 0.245664
O -4.440120 1.535978 1.061395
O -0.687949 -1.968804 1.884645
O -2.681758 -2.928522 2.444121
O -5.997803 -2.860196 -1.098303
O -6.168022 -1.113338 -2.560967
N 2.706770 0.384477 -1.206767
N -3.489536 1.909147 0.294992
N -1.963147 -2.122184 1.742923
N 4.845567 0.278009 -2.048758
N 3.192862 -0.204085 1.171647
N -5.614767 -1.724919 -1.573201
N 5.584076 -0.637955 1.542541
N 7.200291 -0.474968 -0.171647
C 0.478117 -0.178972 -0.164632
C 0.147818 0.819061 0.978565
C 1.257087 0.625685 -1.227466
C -1.911599 -0.099326 0.149644
C 0.502554 2.227182 0.441867
C -2.875039 0.821863 -0.687116
C -2.630279 -1.329529 0.691971
C 1.644344 2.938556 1.184418
C -4.007202 0.133841 -1.381681
C -3.805789 -1.791277 0.179180
C 3.538605 0.036389 -0.127241
C -4.437072 -1.076680 -0.921690
C 3.557062 0.519256 -2.326699
C 4.847121 -0.028844 -0.673199
C 5.897750 -0.381633 0.226138
C 4.280890 -0.538617 1.934533
H 0.966736 -1.100410 0.176255
H 0.654349 0.554584 1.916341
H 0.901805 0.378036 -2.241578
H -0.386632 2.880293 0.415140
H -2.247794 1.415911 -1.370558
H 2.528983 2.277837 1.272666
H 1.307047 3.214023 2.198570
H -4.518073 0.627337 -2.214064
H -4.265131 -2.708662 0.559729
H 3.169374 0.797124 -3.305096
H 2.134859 4.002014 -0.435936
H 4.082080 -0.752951 2.988469
H 7.908757 -0.729918 0.514062
H 7.452906 -0.286503 -1.139795


